6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine

C12H17N — CID 88997048

IUPAC6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
SMILESNC1C=CCCC1C1=CCCC=C1
InChIInChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,5-7,9,11-12H,1,3-4,8,13H2
InChIKeyQXUPCNUHGSFRAL-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.56
Rot. Bonds1

About 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine

6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine (PubChem CID 88997048) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
PubChem CID88997048
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
SMILESNC1C=CCCC1C1=CCCC=C1
InChIInChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,5-7,9,11-12H,1,3-4,8,13H2
InChIKeyQXUPCNUHGSFRAL-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
1-Methyl-amphetamine
CID 69085976
N,N,1,3,4,4,5,5,6-nonadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 140142280
6-(2,2-Dimethylpropyl)-3-fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 68045081
1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine
CID 89318381
2,3-Diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 90030982
5,6-Bis(but-2-ynyl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 135336365
1-(2-Fluoro-5,6-dimethylcyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142905008
4-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-fluorocyclohexan-1-amine
CID 143049564
(1R)-2-[6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-amine
CID 164042692
(Z)-1-(4-fluoro-2,6-dimethylcyclohexa-2,4-dien-1-yl)but-2-en-1-amine
CID 167073770
(1R)-1-[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanamine
CID 170014115

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine?
The IUPAC name of 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine (CID 88997048) is 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine is NC1C=CCCC1C1=CCCC=C1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine?
The InChIKey is QXUPCNUHGSFRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h2,5-7,9,11-12H,1,3-4,8,13H2.
What are the key properties of 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine?
6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine is sourced from PubChem (CID 88997048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).